2-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)isocarbostyril Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCC5(CC4)OCCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCC5(CC4)OCCO5)C

InChI

InChI=1S/C25H26N2O4/c1-17-7-8-19(15-18(17)2)27-16-22(20-5-3-4-6-21(20)24(27)29)23(28)26-11-9-25(10-12-26)30-13-14-31-25/h3-8,15-16H,9-14H2,1-2H3